SCHEMBL2405973

SCHEMBL2405973

CC(NC(=O)OC(C)(C)C)c1cc(C(=O)O)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HCAR2 Q8TDS4 1/20 0.41
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
ACE P12821 1/20 0.36
CA1 P00915 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12590864 1.00 KMT2A (0.43) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL12590862 1.00 KMT2A (0.43) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL599820 0.88 KMT2A (0.42) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL10233727 0.88 KMT2A (0.42) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL15938561 0.84 KMT2A (0.39) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL12590865 0.84 ABCB1 (0.43) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL6177428 0.84 NPSR1 (0.51) KMT2AMAPTTSHRHSD17B10MEN1
SCHEMBL12319269 0.84 ABCB1 (0.43) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL15938565 0.84 KMT2A (0.39) KMT2AATMMAPTTSHRHSD17B10
SCHEMBL21442876 0.82 HCAR2 (0.37) KMT2AATMMAPTTSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106627-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 KMT2A 116/4885ATM 3990/4885MAPT 2775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.